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Home › Product Catalog › 1,2-Ethanedithiol

1,2-Ethanedithiol

CAS 540-63-6C2H6S2MW 93.99 g/mol

1,2-Ethanedithiol (CAS 540-63-6) — formula C2H6S2, molecular weight 93.99 g/mol.

Specifications

CAS Number540-63-6
Molecular FormulaC2H6S2
Molecular Weight93.99 g/mol
Melting Point-41.2 °C
Boiling Point146 °C at 760 mm Hg
LogP0.8

Purchase Profile

What this product is

1,2-Ethanedithiol is a chemical compound with CAS registry number 540-63-6 and molecular formula C2H6S2 (molecular weight 93.99 g/mol).

Identification

CAS number: 540-63-6

Its molecular formula C2H6S2 comprises 2 C, 6 H, 2 S atoms.

Also known as: 1,2-Ethanedithiol · Ethylene Mercaptan

Frequently Asked Questions

What is the CAS number of 1,2-Ethanedithiol?

The CAS registry number of 1,2-Ethanedithiol is 540-63-6.

What is the molecular formula and molecular weight of 1,2-Ethanedithiol?

Molecular formula C2H6S2, molecular weight 93.99 g/mol.

What other names is 1,2-Ethanedithiol known by?

It is also registered under: 1,2-Ethanedithiol, Ethylene Mercaptan.

PubChem Public Data

Public-database records for 1,2-Ethanedithiol (CAS 540-63-6), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statementsH226 (94.8%), H301 (23.1%), H302 (76.9%), H310 (14%), H312 (10.1%), H319 (14.3%), H330 (16.6%)

H226 (94.8%): Flammable liquid and vapor [Warning Flammable liquids]

H301 (23.1%): Toxic if swallowed [Danger Acute toxicity, oral]

Regulatory listings

Regulatory & Food ContactEU Flavoring substances
FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
Flavoring Agents
FLAVOURING_AGENT: Flavouring Agent
Savory
No safety concern at current levels of intake when used as a flavouring agent

Physical description and handling notes

  • Colorless liquid with an unpleasant repulsive odor; [CHEMINFO]
  • Liquid
  • clear to light green liquid with pungent, nauseating mercaptan odour
  • Freely soluble in alkalies
  • Soluble in ethanol, ether, acetone, and benzene; slightly soluble in alkali.
  • Soluble in oxygenated solvents

Reported physical properties

沸点146 °C at 760 mm Hg
沸点144.00 to 146.00 °C. @ 760.00 mm Hg
沸点146 °C; 46-47 °C (6 mm Hg)
沸点146 °C @760 [mm Hg]
熔点-41.2 °C
密度1.123 at 23.5 °C
密度1.123-1.124 (d20/4)
密度1.124 @25 °C
蒸气压5.61 [mmHg]
蒸气压5.68 [mm Hg] @25 °C

How this substance is indexed

CAS Registry Number540-63-6
PubChem CID10902
分子式C2H6S2
分子量93.99 g/mol
IUPAC 名称ethane-1,2-dithiol
InChIKeyVYMPLPIFKRHAAC-UHFFFAOYSA-N
UNII（FDA）92T634FLAR
FEMA 编号3484
JECFA 编号532

Documented uses

  • Used as a metal-complexing agent; [Hawley]
  • Metal-complexing agent. Reverse inhibition by alpha-keto aldehydes on mitosis in E. coli.
  • Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
  • Flavoring Agents -> JECFA Flavorings Index
  • Prepared by reacting ethanol, thiourea and ethylene dibromide and subsequent alkaline hydrolysis of the ethylenediisothiuronium bromide.
  • Thiols can be prepared by a variety of methods. The most-utilized of these synthetic methods for tertiary and secondary thiols is acid-catalyzed synthesis; for normal and secondary thiols, the most-utilized methods are free-radical-initiated, alcohol substitution, or halide substitution; for mercaptoalcohols, the most-utilized method is oxirane addition; and for mercaptoacids and mercaptonitriles, the most-utilized methods are Michael-type additions. /Thiols/

Names this substance appears under

1,2-ETHANEDITHIOL; 540-63-6; Ethane-1,2-dithiol; 1,2-Dimercaptoethane; Dithioglycol; Ethylene mercaptan; Ethylenedithiol; Ethylene dithioglycol; Ethylene dimercaptan; Ethylenedimercaptan; Dithioethyleneglycol; S-Ethylene dimercaptan; Ethylene glycol, dithio-; 1,2-Dithiol ethane; Ethyl hydropersulfide; FEMA No. 3484

Computed molecular descriptors

分子量94.20
XLogP30.8
氢键供体数2
氢键受体数2
可旋转键数1
精确质量93.99109254
单同位素质量93.99109254
拓扑极性表面积2
重原子数4
形式电荷0

Database abstract

1,2-Ethanedithiol is identified by CAS 540-63-6, molecular formula C2H6S2 and molecular weight 93.99 g/mol. UNII 92T634FLAR; InChIKey VYMPLPIFKRHAAC-UHFFFAOYSA-N. 沸点: 146 °C at 760 mm Hg; 沸点: 144.00 to 146.00 °C. @ 760.00 mm Hg; 沸点: 146 °C; 46-47 °C (6 mm Hg).

Source: PubChem / Wikidata; the batch COA governs where values differ.

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